[3-[8-[3-[[3-[(3-Ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]propyl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate | 873653-15-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: [3-[8-[3-[[3-[(3-Ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]propyl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
• CAS: 873653-15-7
• 化学式: C₅₇H₉₆O₁₃
• 分子量: 989.381
• InChiKey: AMCSVBIFSNGHBL-UHFFFAOYSA-N

物化性质

• 沸点：
  898.7±30.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  70
• 可旋转键数：
  49
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  乳酸乙酯 、 [3-[8-[3-[[3-[(3-Ethyloxiran-2-yl)methyl]oxiran-2-yl]methyl]oxiran-2-yl]octanoyloxy]-2-[8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoyloxy]propyl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate 生成 [3-[8-[3-[[3-[(3-Ethyl-6-methyl-5-oxo-1,4-dioxan-2-yl)methyl]-6-methyl-5-oxo-1,4-dioxan-2-yl]methyl]-5-methyl-6-oxo-1,4-dioxan-2-yl]octanoyloxy]-2-[8-[6-methyl-3-[(5-methyl-6-oxo-3-pentyl-1,4-dioxan-2-yl)methyl]-5-oxo-1,4-dioxan-2-yl]octanoyloxy]propyl] 8-[6-methyl-3-[(6-methyl-5-oxo-3-pentyl-1,4-dioxan-2-yl)methyl]-5-oxo-1,4-dioxan-2-yl]octanoate
  参考文献：
  名称：

  Vegetable based dioxanone derivatives, synthesis and uses thereof

  摘要：

  本发明涉及连接到长度在2到24碳之间的碳链上的羧酸和酯基团，其中该链含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由链中的两个相邻碳和/或链中的至少一个碳被取代为挂链的二氧杂环己酮环系统而形成的。在优选实施例中，碳链是脂肪酸残基。所述链的碳可以选择性地被取代、饱和或不饱和。当存在两个或更多的酯基团时，该发明涉及一种聚酯，例如三酸甘油酯，其中包含多个碳链，每个链都独立地衍生，使得三酸甘油酯含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由至少一个链中的两个相邻碳形成的。本发明还涉及制备含有二氧杂环己酮的组合物或脂肪酸衍生物的方法。本发明还涉及利用含有二氧杂环己酮的组合物或脂肪酸衍生物的涂料配方和聚合物，以及制备此类涂料和聚合物的方法。

  公开号：

  US20050234121A1

文献信息

• US7754823B2
  申请人：——

  公开号：US7754823B2

  公开（公告）日：2010-07-13
• Vegetable based dioxanone derivatives, synthesis and uses thereof
  申请人：Binder Paul Thomas

  公开号：US20050234121A1

  公开（公告）日：2005-10-20

  The present invention is directed to carboxylic acid and ester moieties that are attached to a carbon chain that is between 2 and 24 carbons in length wherein, the chain contains at least one dioxanone ring system, said dioxanone being formed from two adjacent carbons in the chain and/or at least one carbon in the chain is substituted with a pendant dioxanone ring system. In preferred embodiments, the carbon chain is a fatty acid residue. The carbons of said chain can be optionally substituted, saturated or unsaturated. When two or more said ester moieties are present, the invention is directed to a polyester such as a triglyceride, that contains multiple carbon chains wherein each chain is independently derivatized such that the triglyceride contains at least one dioxanone ring system, said dioxanone being formed from two adjacent carbons in at least one of said chains. The present invention is also directed to a method of preparing a dioxanone containing composition or fatty acid derivative. The present invention is also directed to coating formulations and polymers that utilize a dioxanone containing composition or fatty acid derivative, and methods of making such coatings and polymers.

  本发明涉及连接到长度在2到24碳之间的碳链上的羧酸和酯基团，其中该链含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由链中的两个相邻碳和/或链中的至少一个碳被取代为挂链的二氧杂环己酮环系统而形成的。在优选实施例中，碳链是脂肪酸残基。所述链的碳可以选择性地被取代、饱和或不饱和。当存在两个或更多的酯基团时，该发明涉及一种聚酯，例如三酸甘油酯，其中包含多个碳链，每个链都独立地衍生，使得三酸甘油酯含有至少一个二氧杂环己酮环系统，所述二氧杂环己酮是由至少一个链中的两个相邻碳形成的。本发明还涉及制备含有二氧杂环己酮的组合物或脂肪酸衍生物的方法。本发明还涉及利用含有二氧杂环己酮的组合物或脂肪酸衍生物的涂料配方和聚合物，以及制备此类涂料和聚合物的方法。